From eccf1ca93bb8a678fb056003177c37ce19a6bd8a Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 6 Mar 2017 13:25:06 +0100 Subject: [PATCH] Fixed MRCC --- plugins/MRCC_Utils/mrcc_utils.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/plugins/MRCC_Utils/mrcc_utils.irp.f b/plugins/MRCC_Utils/mrcc_utils.irp.f index b6a16fe0..f7bf1d2b 100644 --- a/plugins/MRCC_Utils/mrcc_utils.irp.f +++ b/plugins/MRCC_Utils/mrcc_utils.irp.f @@ -787,7 +787,6 @@ END_PROVIDER if (res > resold) then factor = factor * 0.5d0 endif - resold = res if(iand(k, 127) == 0) then print *, k, res, 1.d0 - res/resold @@ -796,6 +795,7 @@ END_PROVIDER if ( (res < 1d-10).or.(res/resold > 0.99d0) ) then exit endif + resold = res end do dIj_unique(1:size(X), s) = X(1:size(X))